[2-(3,4-dichlorophenoxy)phenyl]methanamine;hydrochloride

C13H12Cl3NO — CID 19926666

IUPAC[2-(3,4-dichlorophenoxy)phenyl]methanamine;hydrochloride
SMILESCl.NCc1ccccc1Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H11Cl2NO.ClH/c14-11-6-5-10(7-12(11)15)17-13-4-2-1-3-9(13)8-16;/h1-7H,8,16H2;1H
InChIKeyGWOPGJKFCPWKGF-UHFFFAOYSA-N
MW304.60 g/mol
LogP4.67
Rot. Bonds3

About [2-(3,4-dichlorophenoxy)phenyl]methanamine;hydrochloride

[2-(3,4-dichlorophenoxy)phenyl]methanamine;hydrochloride (PubChem CID 19926666) has the molecular formula C13H12Cl3NO and a molecular weight of 304.60 g/mol. Its IUPAC name is [2-(3,4-dichlorophenoxy)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[2-(3,4-dichlorophenoxy)phenyl]methanamine;hydrochloride
PubChem CID19926666
Molecular FormulaC13H12Cl3NO
Molecular Weight304.60 g/mol
Exact Mass303.00
IUPAC Name[2-(3,4-dichlorophenoxy)phenyl]methanamine;hydrochloride
SMILESCl.NCc1ccccc1Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H11Cl2NO.ClH/c14-11-6-5-10(7-12(11)15)17-13-4-2-1-3-9(13)8-16;/h1-7H,8,16H2;1H
InChIKeyGWOPGJKFCPWKGF-UHFFFAOYSA-N
XLogP4.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.60
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-chloro-6-(3,4-dichlorophenoxy)phenyl]methanamine
CID 63458744
[2-(3,5-dichlorophenoxy)phenyl]methanamine
CID 43622066
(2-naphthalen-2-yloxyphenyl)methanamine
CID 19627401
N-[[2-(3,4-dichlorophenoxy)phenyl]methyl]ethanamine;hydrochloride
CID 126796280
[2-(3-bromophenoxy)phenyl]methanamine
CID 28966197
2-[[2-(3,4-dichlorophenoxy)phenyl]methylsulfanyl]acetyl chloride
CID 66573868
[4-(3,4-dichlorophenoxy)quinolin-2-yl]methanamine
CID 63377726
(1R)-1-[2-(3,4-dichlorophenoxy)phenyl]propan-1-amine
CID 103959328
[2-chloro-4-(2,3-difluorophenoxy)phenyl]methanamine
CID 55145340
2-(aminomethyl)phenol;3-(3,4-dichlorophenoxy)benzaldehyde
CID 23291705
N-[2-[4-(aminomethyl)-3-chlorophenoxy]phenyl]acetamide
CID 62946547
[6-(3,4-dichlorophenoxy)-2-pyridinyl]methanamine
CID 62322079

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dichlorophenoxy)phenyl]methanamine;hydrochloride?
The IUPAC name of [2-(3,4-dichlorophenoxy)phenyl]methanamine;hydrochloride (CID 19926666) is [2-(3,4-dichlorophenoxy)phenyl]methanamine;hydrochloride.
What is the SMILES notation for [2-(3,4-dichlorophenoxy)phenyl]methanamine;hydrochloride?
The canonical SMILES for [2-(3,4-dichlorophenoxy)phenyl]methanamine;hydrochloride is Cl.NCc1ccccc1Oc1ccc(Cl)c(Cl)c1.
What is the InChIKey of [2-(3,4-dichlorophenoxy)phenyl]methanamine;hydrochloride?
The InChIKey is GWOPGJKFCPWKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO.ClH/c14-11-6-5-10(7-12(11)15)17-13-4-2-1-3-9(13)8-16;/h1-7H,8,16H2;1H.
What are the key properties of [2-(3,4-dichlorophenoxy)phenyl]methanamine;hydrochloride?
[2-(3,4-dichlorophenoxy)phenyl]methanamine;hydrochloride has a molecular weight of 304.60 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dichlorophenoxy)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 19926666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).